SCHEMBL13640848

SCHEMBL13640848

O=C(NC1CCCCC(N2CCC3(CC2)COc2ccc(F)cc23)C1)C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
EPHX2 P34913 9/20 0.39
SETD2 Q9BYW2 1/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13640900 0.88 CHRNA7 (0.38) CHRNA7SETD2
SCHEMBL13640837 0.88 CHRNA7 (0.39) CHRNA7SETD2
SCHEMBL13640831 0.87 CHRNA7 (0.38) CHRNA7SETD2
SCHEMBL13640881 0.86 CHRNA7 (0.38) CHRNA7SETD2
SCHEMBL13640947 0.86 CHRNA7 (0.41) CHRNA7SETD2
SCHEMBL13640995 0.86 CHRNA7 (0.41) CHRNA7SETD2
SCHEMBL13640795 0.85 CHRNA7 (0.39) CHRNA7SETD2KMT2ALMNAALDH1A1
SCHEMBL13640891 0.85 CHRNA7 (0.39) CHRNA7SETD2KMT2A
SCHEMBL13640876 0.84 CHRNA7 (0.39) CHRNA7SETD2
SCHEMBL13640930 0.84 EPHX1 (0.39) CHRNA7SETD2KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 CHRNA7 23/4885EPHX2 1423/4885SETD2 3573/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.